Collaborative Research: Study of A- and B-class dye-decolorizing peroxidases (DyPs): From molecular mechanisms to applications in dye removal and lignin degradation

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With this award, the Chemistry of Life Processes Program in the Chemistry Division is funding Dr. Ping Li from Kansas State University and Dr. Likai Song from Florida State University to investigate the molecular mechanism of A- and B-class dye-decolorizing peroxidases (DyPs) and their structure-property-reactivity-function (SPRF) relationship. The results of this investigation can be used in the development of biocatalysts for wastewater treatment and biofuel production. The proposed studies fill the critical knowledge gap regarding DyPs and guide protein engineering that could lead to enzymes with enhanced oxidative activity. This pursuit allows the graduate students and postdoctoral trainees to acquire expertise in multidisciplinary areas spanning from Chemistry to Biology, thus preparing them to become successful next-generation scientists. Contributions are also made to an outreach program that encourages students from groups underrepresented in STEM careers to major in science. This research project seeks to elucidate the molecular mechanism and SPRF relationship of DyPs, a new family of H2O2-dependent heme peroxidases. The studies focus on TcDyP from Thermomonospora curvata and ElDyP from Enterobacter lignolyticus as the representatives for the A- and B-class enzymes from this family, respectively. The residues situated on the enzyme surface that are responsible for substrate oxidation in TcDyP, the residue(s) that control one- and two-electron reduction reactions that involve ElDyP compound I, and the dynamics of the loop surrounding the heme pocket in DyPs are being studied using structural biology, enzymology, and electron paramagnetic resonance (EPR) investigation methods. Organic synthesis and protein engineering are being utilized to define and modulate the SPRF relationship. Information from this study not only fills the fundamental knowledge gap on DyPs but also paves the way for DyPs' applications in dye removal and lignin degradation.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.